Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Thiocyanic acid, heptyl ester
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Purity: 98.0%
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5416-94-4

5416-94-4 structure

5416-94-4 structure

Name: Thiocyanic acid, heptyl ester
Chemical Name: heptyl thiocyanate
CAS Number: 5416-94-4
Molecular Formula: C₈H₁₅NS
Molecular Weight: 157.27600
Create Date: 2017-04-22 06:10:26
Modify Date: 2024-01-12 07:53:02

Name	heptyl thiocyanate
Synonyms	Heptylthiocyanat heptylsulfanyl cyanate n-Heptylrhodanid n-Heptylthiocyanat Thiocyansaeure-heptylester Thiocyanic acid,heptyl ester prim.-n-Heptyl-rhodanid

Density	0.936g/cm3
Boiling Point	234.8ºC at 760 mmHg
Molecular Formula	C₈H₁₅NS
Molecular Weight	157.27600
Flash Point	95.8ºC
Exact Mass	157.09300
PSA	49.09000
LogP	3.17108
Index of Refraction	1.471

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XL1227000

CHEMICAL NAME :: Thiocyanic acid, heptyl ester

CAS REGISTRY NUMBER :: 5416-94-4

BEILSTEIN REFERENCE NO. :: 1749810

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H15-N-S

MOLECULAR WEIGHT :: 157.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 72 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972

HS Code	2930909090

629-04-9 structure

629-04-9

333-20-0 structure

333-20-0

~%

5416-94-4 structure

5416-94-4

Literature: Bogert Journal of the American Chemical Society, 1903 , vol. 25, p. 289

111-70-6 structure

111-70-6

~%

5416-94-4 structure

5416-94-4

Literature: Bogert Journal of the American Chemical Society, 1903 , vol. 25, p. 289

556-64-9 structure

556-64-9

4282-40-0 structure

4282-40-0

~89%

5416-94-4 structure

5416-94-4

Literature: Ohtani, Noritaka; Murakawa, Shigeki; Watanabe, Kohji; Tsuchimoto, Daisuke; Sato, Daiki Journal of the Chemical Society. Perkin Transactions 2, 2000 , # 9 p. 1851 - 1856

629-06-1 structure

629-06-1

333-20-0 structure

333-20-0

~%

5416-94-4 structure

5416-94-4

Literature: Caronna,T. et al. Tetrahedron, 1977 , vol. 33, p. 793 - 796

142-82-5 structure

142-82-5

333-20-0 structure

333-20-0

~%

5416-94-4 structure

5416-94-4

Literature: Mueller,E.; Schmidt,E.W. Chemische Berichte, 1963 , vol. 96, p. 3050 - 3061

Precursor 7
629-04-9 333-20-0 111-70-6 556-64-9
4282-40-0 629-06-1 142-82-5
DownStream 3
10496-16-9 1639-09-4 24768-44-3

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%